Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qa3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N VAL 120.A O no hydrogen 2.736 N/A TYR 5.A N ARG 42.A O no hydrogen 2.849 N/A TYR 5.A OH HIS 29.A ND1 no hydrogen 2.878 N/A ILE 6.A N ILE 122.A O no hydrogen 2.999 N/A TYR 7.A N VAL 44.A O no hydrogen 3.117 N/A TYR 11.A N SER 8.A OG no hydrogen 3.018 N/A TYR 11.A OH ASN 123.A OD1 no hydrogen 2.966 N/A VAL 12.A N SER 8.A O no hydrogen 3.094 N/A SER 13.A N PRO 9.A O no hydrogen 3.157 N/A SER 13.A OG PRO 9.A O no hydrogen 2.969 N/A MET 14.A N GLU 10.A O no hydrogen 3.127 N/A CYS 15.A N TYR 11.A O no hydrogen 2.957 N/A CYS 15.A SG TYR 11.A O no hydrogen 3.392 N/A ASP 16.A N VAL 12.A O no hydrogen 3.009 N/A ASP 16.A N SER 13.A O no hydrogen 3.301 N/A SER 17.A N MET 14.A O no hydrogen 3.269 N/A SER 17.A OG MET 14.A O no hydrogen 2.323 N/A ARG 24.A NH1 GLY 290.A O no hydrogen 3.309 N/A ARG 24.A NH2 GLY 290.A O no hydrogen 3.382 N/A ALA 25.A N ASP 16.A OD2 no hydrogen 2.781 N/A SER 26.A N ASP 16.A OD2 no hydrogen 3.261 N/A SER 26.A OG ASP 16.A OD1 no hydrogen 2.310 N/A MET 27.A N LYS 23.A O no hydrogen 3.401 N/A HIS 29.A N ALA 25.A O no hydrogen 3.111 N/A HIS 29.A ND1 TYR 5.A OH no hydrogen 2.878 N/A SER 30.A N SER 26.A O no hydrogen 2.787 N/A LEU 31.A N MET 27.A O no hydrogen 3.083 N/A ILE 32.A N VAL 28.A O no hydrogen 3.320 N/A GLU 33.A N HIS 29.A O no hydrogen 2.891 N/A ALA 34.A N SER 30.A O no hydrogen 3.026 N/A TYR 35.A N LEU 31.A O no hydrogen 3.219 N/A TYR 35.A N ILE 32.A O no hydrogen 3.232 N/A TYR 35.A OH SER 315.A O no hydrogen 2.988 N/A ALA 36.A N GLU 33.A O no hydrogen 2.835 N/A LEU 37.A N ILE 32.A O no hydrogen 3.214 N/A GLN 40.A N LEU 37.A O no hydrogen 3.201 N/A ARG 42.A N PRO 3.A O no hydrogen 2.908 N/A VAL 44.A N TYR 5.A O no hydrogen 3.035 N/A LYS 47.A N THR 108.A OG1 no hydrogen 3.086 N/A ALA 49.A N ALA 100.A O no hydrogen 3.216 N/A SER 50.A N GLU 53.A OE1 no hydrogen 2.717 N/A SER 50.A OG GLU 52.A OE2 no hydrogen 3.552 N/A SER 50.A OG GLU 53.A OE1 no hydrogen 3.268 N/A GLU 52.A N GLU 52.A OE2 no hydrogen 2.677 N/A GLU 53.A N SER 50.A OG no hydrogen 3.275 N/A MET 54.A N SER 50.A O no hydrogen 3.208 N/A ALA 55.A N MET 51.A O no hydrogen 3.108 N/A THR 56.A N GLU 53.A O no hydrogen 3.426 N/A THR 56.A OG1 GLU 53.A O no hydrogen 2.623 N/A PHE 57.A N MET 54.A O no hydrogen 3.238 N/A HIS 58.A N MET 54.A O no hydrogen 3.007 N/A THR 59.A N LYS 133.A O no hydrogen 3.035 N/A TYR 62.A OH TYR 141.A O no hydrogen 2.589 N/A LEU 63.A N THR 59.A O no hydrogen 3.247 N/A GLN 64.A N ASP 60.A O no hydrogen 2.952 N/A HIS 65.A N ALA 61.A O no hydrogen 3.140 N/A HIS 65.A NE2 SER 80.A OG no hydrogen 3.049 N/A LEU 66.A N TYR 62.A O no hydrogen 3.070 N/A GLN 67.A N LEU 63.A O no hydrogen 3.158 N/A LYS 68.A N GLN 64.A O no hydrogen 3.182 N/A LYS 68.A N HIS 65.A O no hydrogen 3.200 N/A VAL 69.A N HIS 65.A O no hydrogen 3.124 N/A ASP 76.A N ASP 74.A OD2 no hydrogen 2.930 N/A ASP 79.A N HIS 77.A ND1 no hydrogen 3.047 N/A SER 80.A N HIS 77.A O no hydrogen 3.136 N/A SER 80.A OG HIS 65.A NE2 no hydrogen 3.049 N/A SER 80.A OG HIS 77.A O no hydrogen 3.264 N/A GLU 82.A N ASP 79.A O no hydrogen 3.328 N/A TYR 83.A N SER 80.A O no hydrogen 3.206 N/A LEU 85.A N SER 80.A O no hydrogen 2.887 N/A ALA 91.A N ASP 75.A OD2 no hydrogen 3.259 N/A GLY 94.A N SER 70.A O no hydrogen 2.570 N/A PHE 96.A N SER 70.A OG no hydrogen 2.848 N/A TYR 98.A N GLY 94.A O no hydrogen 3.234 N/A ALA 99.A N ILE 95.A O no hydrogen 3.000 N/A ALA 100.A N PHE 96.A O no hydrogen 2.835 N/A ALA 101.A N ASP 97.A O no hydrogen 3.052 N/A ILE 102.A N TYR 98.A O no hydrogen 3.504 N/A GLY 103.A N ALA 99.A O no hydrogen 2.862 N/A GLY 104.A N ALA 100.A O no hydrogen 2.872 N/A ALA 105.A N ALA 101.A O no hydrogen 2.905 N/A ALA 105.A N ILE 102.A O no hydrogen 3.206 N/A THR 106.A N ILE 102.A O no hydrogen 3.306 N/A THR 106.A OG1 ILE 102.A O no hydrogen 3.449 N/A THR 106.A OG1 ASP 144.A OD2 no hydrogen 2.531 N/A ILE 107.A N GLY 103.A O no hydrogen 3.363 N/A THR 108.A N GLY 104.A O no hydrogen 3.012 N/A THR 108.A OG1 GLY 104.A O no hydrogen 2.491 N/A ALA 109.A N ALA 105.A O no hydrogen 3.066 N/A ALA 110.A N THR 106.A O no hydrogen 2.930 N/A GLN 111.A N ILE 107.A O no hydrogen 2.787 N/A GLN 111.A NE2 ASP 115.A OD2 no hydrogen 2.852 N/A CYS 112.A N THR 108.A O no hydrogen 3.094 N/A CYS 112.A SG THR 108.A O no hydrogen 3.234 N/A LEU 113.A N ALA 109.A O no hydrogen 3.256 N/A ILE 114.A N ALA 110.A O no hydrogen 3.055 N/A ASP 115.A N GLN 111.A O no hydrogen 3.137 N/A MET 117.A N CYS 112.A O no hydrogen 3.008 N/A CYS 118.A SG VAL 120.A O no hydrogen 3.258 N/A ALA 121.A N THR 285.A O no hydrogen 3.011 N/A ILE 122.A N VAL 4.A O no hydrogen 2.732 N/A ASN 123.A N ILE 287.A O no hydrogen 2.858 N/A ASN 123.A ND2 THR 106.A OG1 no hydrogen 3.198 N/A GLY 126.A N ASN 123.A O no hydrogen 3.259 N/A GLY 127.A N ASP 144.A OD1 no hydrogen 2.943 N/A GLY 127.A N ASP 144.A OD2 no hydrogen 2.827 N/A TRP 128.A N ASP 144.A OD1 no hydrogen 2.754 N/A TRP 128.A NE1.A SER 125.A O no hydrogen 3.145 N/A HIS 129.A ND1 ASP 163.A OD2 no hydrogen 2.350 N/A HIS 130.A ND1 ASP 170.A OD2 no hydrogen 2.672 N/A LYS 132.A N GLU 135.A O no hydrogen 2.802 N/A ALA 136.A N TYR 83.A O no hydrogen 2.826 N/A SER 137.A N CYS 140.A O no hydrogen 2.964 N/A CYS 140.A N SER 137.A O no hydrogen 2.979 N/A CYS 140.A SG GLY 138.A O no hydrogen 3.081 N/A TYR 141.A OH PRO 90.A O no hydrogen 2.546 N/A ASN 143.A N HIS 58.A NE2 no hydrogen 3.027 N/A ASN 143.A ND2 ALA 131.A O no hydrogen 2.933 N/A VAL 146.A N ASN 143.A OD1 no hydrogen 3.167 N/A LEU 147.A N ASN 143.A O no hydrogen 3.249 N/A GLY 148.A N ASP 144.A O no hydrogen 3.017 N/A ILE 149.A N ALA 145.A O no hydrogen 3.062 N/A LEU 150.A N VAL 146.A O no hydrogen 2.873 N/A ARG 151.A N LEU 147.A O no hydrogen 3.169 N/A ARG 151.A NH1 GLU 53.A OE2 no hydrogen 3.044 N/A ARG 151.A NH2 GLN 111.A OE1 no hydrogen 2.684 N/A LEU 152.A N GLY 148.A O no hydrogen 3.112 N/A ARG 153.A NH1 PHE 156.A O no hydrogen 2.972 N/A ARG 153.A NH1 GLU 157.A OE2 no hydrogen 3.425 N/A ARG 154.A N ARG 151.A O no hydrogen 3.217 N/A LYS 155.A N LEU 152.A O no hydrogen 3.178 N/A PHE 156.A N LEU 152.A O no hydrogen 2.878 N/A ILE 159.A N LYS 181.A O no hydrogen 3.147 N/A LEU 160.A N ALA 246.A O no hydrogen 2.927 N/A TYR 161.A N MET 183.A O no hydrogen 2.815 N/A TYR 161.A OH ASP 163.A OD2 no hydrogen 2.825 N/A VAL 162.A N VAL 248.A O no hydrogen 2.852 N/A ASP 163.A N VAL 185.A O no hydrogen 2.607 N/A LEU 164.A N GLN 250.A O no hydrogen 2.932 N/A ASP 165.A N ASP 163.A OD1 no hydrogen 3.055 N/A LEU 166.A N ASP 254.A OD1 no hydrogen 3.038 N/A HIS 167.A N ASP 165.A OD2 no hydrogen 2.752 N/A HIS 168.A ND1 THR 198.A OG1 no hydrogen 3.205 N/A HIS 168.A NE2 GLU 173.A OE1 no hydrogen 2.650 N/A ASP 170.A N HIS 168.A O no hydrogen 2.836 N/A GLU 173.A N GLY 169.A O no hydrogen 3.165 N/A ASP 174.A N ASP 170.A O no hydrogen 2.825 N/A ALA 175.A N GLY 171.A O no hydrogen 3.235 N/A PHE 176.A N VAL 172.A O no hydrogen 3.264 N/A SER 177.A N ASP 174.A O no hydrogen 3.489 N/A THR 179.A N PHE 176.A O no hydrogen 3.302 N/A LYS 181.A N THR 179.A OG1 no hydrogen 3.004 N/A LYS 181.A NZ GLU 157.A OE2 no hydrogen 2.987 N/A MET 183.A N ILE 159.A O no hydrogen 3.057 N/A THR 184.A N TYR 212.A O no hydrogen 3.328 N/A VAL 185.A N TYR 161.A O no hydrogen 2.589 N/A SER 186.A N VAL 214.A O no hydrogen 3.007 N/A SER 186.A OG HIS 188.A ND1 no hydrogen 2.882 N/A LEU 187.A N ASP 163.A O no hydrogen 2.974 N/A HIS 188.A N VAL 216.A O no hydrogen 3.189 N/A HIS 188.A ND1 SER 186.A OG no hydrogen 2.882 N/A HIS 188.A NE2 GLY 199.A O no hydrogen 2.720 N/A LYS 189.A N LEU 166.A O no hydrogen 2.966 N/A LYS 189.A NZ ASP 220.A OD2 no hydrogen 2.924 N/A LYS 189.A NZ SER 263.A OG no hydrogen 2.866 N/A PHE 190.A N ILE 218.A O no hydrogen 3.336 N/A PHE 194.A N SER 191.A O no hydrogen 3.020 N/A THR 198.A OG1 HIS 168.A ND1 no hydrogen 3.205 N/A ASP 200.A N ASP 203.A OD2 no hydrogen 2.918 N/A SER 202.A OG ASP 200.A OD1 no hydrogen 3.455 N/A ASP 203.A N ASP 200.A O no hydrogen 2.978 N/A LEU 206.A N SER 177.A O no hydrogen 3.346 N/A GLY 209.A N LEU 206.A O no hydrogen 2.910 N/A ARG 210.A N GLY 207.A O no hydrogen 3.213 N/A ARG 210.A NH2 TYR 211.A OH no hydrogen 3.521 N/A TYR 211.A N VAL 204.A O no hydrogen 2.689 N/A TYR 212.A N GLY 209.A O no hydrogen 2.964 N/A SER 213.A N VAL 204.A O no hydrogen 3.301 N/A VAL 214.A N THR 184.A O no hydrogen 2.817 N/A ASN 215.A ND2 GLU 173.A OE1 no hydrogen 2.974 N/A ASN 215.A ND2 GLU 173.A OE2 no hydrogen 3.562 N/A ASN 215.A ND2 ASP 203.A O no hydrogen 2.783 N/A VAL 216.A N SER 186.A O no hydrogen 2.867 N/A ILE 218.A N HIS 188.A O no hydrogen 2.756 N/A GLN 219.A N ASN 344.A OD1 no hydrogen 2.546 N/A GLN 219.A NE2 PHE 190.A O no hydrogen 3.102 N/A GLY 221.A N SER 263.A O no hydrogen 2.843 N/A LYS 226.A NZ ASP 342.A OD2 no hydrogen 3.189 N/A LYS 226.A NZ ASN 344.A O no hydrogen 2.836 N/A TYR 227.A N GLN 223.A O no hydrogen 3.006 N/A TYR 228.A N ASP 224.A O no hydrogen 2.945 N/A TYR 228.A OH GLU 232.A OE2 no hydrogen 3.428 N/A GLN 229.A N GLU 225.A O no hydrogen 3.219 N/A ILE 230.A N LYS 226.A O no hydrogen 3.158 N/A CYS 231.A N TYR 227.A O no hydrogen 2.872 N/A GLU 232.A N TYR 228.A O no hydrogen 2.608 N/A SER 233.A N GLN 229.A O no hydrogen 3.151 N/A SER 233.A OG GLN 229.A O no hydrogen 2.692 N/A VAL 234.A N ILE 230.A O no hydrogen 3.178 N/A LEU 235.A N CYS 231.A O no hydrogen 2.999 N/A LYS 236.A N GLU 232.A O no hydrogen 2.961 N/A GLU 237.A N SER 233.A O no hydrogen 3.349 N/A VAL 238.A N VAL 234.A O no hydrogen 2.853 N/A TYR 239.A N LEU 235.A O no hydrogen 2.959 N/A GLN 240.A N LYS 236.A O no hydrogen 3.369 N/A ALA 241.A N GLU 237.A O no hydrogen 3.112 N/A PHE 242.A N VAL 238.A O no hydrogen 2.785 N/A ASN 243.A N TYR 239.A O no hydrogen 3.115 N/A LYS 245.A N ARG 158.A O no hydrogen 2.862 N/A ALA 246.A N ARG 158.A O no hydrogen 3.203 N/A VAL 247.A N ALA 284.A O no hydrogen 2.954 N/A VAL 248.A N LEU 160.A O no hydrogen 2.770 N/A LEU 249.A N LEU 286.A O no hydrogen 2.861 N/A GLN 250.A N VAL 162.A O no hydrogen 2.910 N/A GLN 250.A NE2 GLY 127.A O no hydrogen 2.911 N/A LEU 251.A N LEU 288.A O no hydrogen 3.080 N/A GLY 252.A N GLN 250.A OE1 no hydrogen 3.166 N/A ALA 253.A N GLY 291.A O no hydrogen 2.804 N/A ILE 256.A N ALA 253.A O no hydrogen 3.252 N/A ALA 257.A N MET 266.A O no hydrogen 2.646 N/A ASP 259.A N ILE 256.A O no hydrogen 3.261 N/A MET 261.A N ASP 259.A OD2 no hydrogen 2.967 N/A CYS 262.A N ASP 259.A O no hydrogen 2.858 N/A SER 263.A OG MET 261.A O no hydrogen 3.378 N/A ASN 265.A N ILE 222.A O no hydrogen 2.930 N/A ASN 265.A ND2 SER 338.A O no hydrogen 3.081 N/A MET 266.A N THR 255.A O no hydrogen 3.096 N/A THR 267.A N ASP 224.A OD1 no hydrogen 2.942 N/A THR 267.A OG1 ASP 224.A OD1 no hydrogen 3.363 N/A THR 267.A OG1 ASP 224.A OD2 no hydrogen 2.436 N/A GLY 270.A N THR 267.A O no hydrogen 2.996 N/A GLY 272.A N PRO 268.A O no hydrogen 2.919 N/A LYS 273.A N VAL 269.A O no hydrogen 3.045 N/A CYS 274.A N GLY 270.A O no hydrogen 3.333 N/A CYS 274.A SG GLY 270.A O no hydrogen 3.594 N/A LEU 275.A N ILE 271.A O no hydrogen 2.914 N/A LYS 276.A N GLY 272.A O no hydrogen 2.904 N/A TYR 277.A N LYS 273.A O no hydrogen 3.231 N/A ILE 278.A N CYS 274.A O no hydrogen 3.321 N/A ILE 278.A N LEU 275.A O no hydrogen 3.252 N/A LEU 279.A N LEU 275.A O no hydrogen 2.913 N/A GLN 280.A N LYS 276.A O no hydrogen 3.121 N/A GLN 280.A NE2 TYR 277.A O no hydrogen 2.864 N/A TRP 281.A N ILE 278.A O no hydrogen 3.264 N/A GLN 282.A N LEU 279.A O no hydrogen 3.196 N/A GLN 282.A NE2 GLN 280.A O no hydrogen 3.564 N/A THR 285.A N LYS 119.A O no hydrogen 2.748 N/A THR 285.A OG1 LEU 283.A O no hydrogen 2.960 N/A LEU 286.A N VAL 247.A O no hydrogen 2.807 N/A ILE 287.A N ALA 121.A O no hydrogen 2.845 N/A LEU 288.A N LEU 249.A O no hydrogen 2.772 N/A GLY 289.A N ASN 123.A O no hydrogen 3.186 N/A GLY 291.A N ASP 165.A OD1 no hydrogen 2.950 N/A TYR 293.A N ASP 259.A OD1 no hydrogen 3.169 N/A ASN 294.A ND2 GLY 258.A O no hydrogen 2.621 N/A ASN 297.A N ASN 294.A OD1 no hydrogen 3.316 N/A MET 298.A N ASN 294.A O no hydrogen 2.877 N/A ALA 299.A N LEU 295.A O no hydrogen 3.023 N/A ARG 300.A N ALA 296.A O no hydrogen 2.885 N/A ARG 300.A NE VAL 332.A O no hydrogen 3.040 N/A CYS 301.A N ASN 297.A O no hydrogen 2.858 N/A TRP 302.A N MET 298.A O no hydrogen 2.941 N/A TRP 302.A NE1 LEU 251.A O no hydrogen 2.791 N/A THR 303.A N ALA 299.A O no hydrogen 2.940 N/A THR 303.A OG1 ALA 299.A O no hydrogen 2.578 N/A TYR 304.A N ARG 300.A O no hydrogen 3.197 N/A LEU 305.A N CYS 301.A O no hydrogen 2.893 N/A THR 306.A N TRP 302.A O no hydrogen 3.007 N/A THR 306.A OG1 TRP 302.A O no hydrogen 2.697 N/A GLY 307.A N THR 303.A O no hydrogen 3.093 N/A VAL 308.A N TYR 304.A O no hydrogen 2.927 N/A ILE 309.A N LEU 305.A O no hydrogen 3.116 N/A LEU 310.A N THR 306.A O no hydrogen 3.205 N/A GLY 311.A N VAL 308.A O no hydrogen 3.110 N/A LYS 312.A N GLY 307.A O no hydrogen 2.832 N/A SER 316.A OG GLU 334.A OE2 no hydrogen 2.471 N/A GLU 317.A N SER 315.A OG no hydrogen 3.372 N/A ILE 318.A N TYR 331.A O no hydrogen 3.131 N/A HIS 321.A ND1 PRO 319.A O no hydrogen 2.932 N/A ALA 326.A N PHE 323.A O no hydrogen 3.080 N/A TYR 327.A N PHE 324.A O no hydrogen 3.223 N/A TYR 331.A N TYR 327.A O no hydrogen 2.888 N/A LEU 333.A N SER 316.A O no hydrogen 2.894 N/A SER 338.A N ASN 265.A OD1 no hydrogen 3.027 N/A SER 338.A OG ASN 265.A OD1 no hydrogen 3.215 N/A ARG 340.A N SER 338.A O no hydrogen 2.875 N/A ARG 340.A NE SER 338.A OG no hydrogen 3.217 N/A ARG 340.A NH1 SER 263.A O no hydrogen 3.228 N/A ARG 340.A NH2 SER 263.A O no hydrogen 3.033 N/A ARG 343.A N ASP 220.A O no hydrogen 2.971 N/A ASN 344.A N ASP 342.A OD1 no hydrogen 3.098 N/A ASN 344.A ND2 GLN 219.A O no hydrogen 2.786 N/A ASN 344.A ND2 ASP 342.A OD1 no hydrogen 3.132 N/A ILE 349.A N GLU 345.A O no hydrogen 3.125 N/A GLN 350.A N PRO 346.A O no hydrogen 3.254 N/A GLN 351.A N HIS 347.A O no hydrogen 2.828 N/A ILE 352.A N ARG 348.A O no hydrogen 2.999 N/A LEU 353.A N ILE 349.A O no hydrogen 3.130 N/A ASN 354.A N GLN 350.A O no hydrogen 3.145 N/A TYR 355.A N GLN 351.A O no hydrogen 3.253 N/A ILE 356.A N ILE 352.A O no hydrogen 3.093 N/A LYS 357.A N LEU 353.A O no hydrogen 2.903 N/A GLY 358.A N ASN 354.A O no hydrogen 2.868 N/A ASN 359.A N TYR 355.A O no hydrogen 2.706 N/A LEU 360.A N ILE 356.A O no hydrogen 2.889 N/A LYS 361.A N GLY 358.A O no hydrogen 3.363 N/A HIS 362.A N ASN 359.A O no hydrogen 3.219 N/A VAL 364.A N LEU 360.A O no hydrogen 3.206 N/A